ChemSpider 2D Image | Ethyl (2E)-2-[(1-benzyl-1H-indol-3-yl)methylene]-5-(4-isopropylphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C40H35N3O3S

Ethyl (2E)-2-[(1-benzyl-1H-indol-3-yl)methylene]-5-(4-isopropylphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC40H35N3O3S
  • Average mass637.789 Da
  • Monoisotopic mass637.239929 Da
  • ChemSpider ID34434187

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-2-[(1-Benzyl-1H-indol-3-yl)méthylène]-5-(4-isopropylphényl)-3-oxo-7-phényl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-5-[4-(1-methylethyl)phenyl]-3-oxo-7-phenyl-2-[[1-(phenylmethyl)-1H-indol-3-yl]methylene]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-[(1-benzyl-1H-indol-3-yl)methylene]-5-(4-isopropylphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-2-[(1-benzyl-1H-indol-3-yl)methylen]-5-(4-isopropylphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
ETHYL (2E)-2-[(1-BENZYLINDOL-3-YL)METHYLIDENE]-3-OXO-7-PHENYL-5-(4-PROPAN-2-YLPHENYL)-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 799.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.0±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 190.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.65
ACD/LogD (pH 5.5): 8.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 807107.56
ACD/LogD (pH 7.4): 8.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 807107.56
Polar Surface Area: 89 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 514.8±7.0 cm3

Click to predict properties on the Chemicalize site


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